4-Aminomethylphenylboronic acid, pinacol ester - ≥96% , CAS No.138500-88-6

CAS: 138500-88-6 Cat. No.: A181385 Molecular Weight: 233.1 EC Number: 689-663-0

GRADE & PURITY ≥96%

Synonyms

4-Aminomethylphenylboronic acid pinacol ester | AKOS015999093 | 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-benzylamine | FT-0643288 | [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine | Benzenemethanamine, 4-(4,4,5,5-tetramethyl-1,3,

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

4-Aminomethylphenylboronic acid pinacol ester | AKOS015999093 | 4-(4, 4, 5, 5-Tetramethyl-1, 3, 2-dioxaborolan-2-yl)-benzylamine | FT-0643288 | [4-(4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolan-2-yl)phenyl]methanamine | Benzenemethanamine, 4-(4, 4, 5, 5-tetramethyl-1, 3,

Specifications & Purity

≥96%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504761797
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761797
• Canonical Smiles: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN
• IUPAC Name: [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
• InChIKey: FPUVAGQUKWMDKN-UHFFFAOYSA-N
• INCHI: 1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-10(9-15)6-8-11/h5-8H,9,15H2,1-4H3
• Isomeric SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN
• Molecular Weight: 233.1
• Reaxy-Rn: 8392884
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8392884&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Aralkylamines Dioxaborolanes Boronic acid esters Oxacyclic compounds Organic metalloid salts Organopnictogen compounds Organooxygen compounds Organoboron compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Organic metalloid salt - Organoheterocyclic compound - Oxacycle - Organopnictogen compound - Organic salt - Primary amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organoboron compound - Primary aliphatic amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 233.120 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 233.159 Da
• Monoisotopic Mass: 233.159 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 257.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3

References

1. Hui Dong, Ke Xu, Yidan Ye, Yitong Jiang, Zhiqin Zhang, Aixin Chang, Yan Zhou, Jiahui Ding, Yanli Zhou, Yintang Zhang, Zhaohui Li, Maotian Xu.  (2025)  A methylene blue-based tri-mode “turn-on” molecular probe for detecting Hypochlorous acid in human serum.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.116450]